Combined DFT and electrostatics study of the proton pumping mechanism in cytochrome c oxidase

Biochimica et Biophysica Acta - Bioenergetics

Volumn 1757, Issue 8, 2006, Pages 1035-1046

  Quenneville, Jason ^a   Popović, Dragan M ^a   Stuchebrukhov, Alexei A ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

Cytochrome c oxidase; DFT electrostatic calculation; pKa calculation; Proton pumping; Redox coupled pKa

Indexed keywords

CYTOCHROME C OXIDASE; HYDROXYL GROUP; NITROGEN; PROTON PUMP; WATER;

CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; DIELECTRIC CONSTANT; ELECTROCHEMICAL ANALYSIS; ENTHALPY; ENTROPY; MATHEMATICAL COMPUTING; MEMBRANE POTENTIAL; MOLECULAR MECHANICS; OXIDATION REDUCTION REACTION; PKA; PRIORITY JOURNAL; PROTON TRANSPORT; QUANTUM CHEMISTRY; QUANTUM MECHANICS; REVIEW; SOLVATION;

ELECTRON TRANSPORT COMPLEX IV; ELECTROSTATICS; ION CHANNELS; MODELS, MOLECULAR; OXIDATION-REDUCTION; PROTEIN CONFORMATION; PROTONS;

EID: 33748895869     PISSN: 00052728     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.bbabio.2005.12.003     Document Type: Review

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